2-(2-acetamidophenyl)-N-[2-(N-ethylanilino)ethyl]-3-oxo-4H-quinoxaline-6-carboxamide

C27H27N5O3 — CID 11957252

IUPAC2-(2-acetamidophenyl)-N-[2-(N-ethylanilino)ethyl]-3-oxo-4H-quinoxaline-6-carboxamide
SMILESCCN(CCNC(=O)c1ccc2nc(-c3ccccc3NC(C)=O)c(=O)[nH]c2c1)c1ccccc1
InChIInChI=1S/C27H27N5O3/c1-3-32(20-9-5-4-6-10-20)16-15-28-26(34)19-13-14-23-24(17-19)31-27(35)25(30-23)21-11-7-8-12-22(21)29-18(2)33/h4-14,17H,3,15-16H2,1-2H3,(H,28,34)(H,29,33)(H,31,35)
InChIKeyMXVXYCJSUFLRTF-UHFFFAOYSA-N
MW469.55 g/mol
LogP3.80
Rot. Bonds8

About 2-(2-acetamidophenyl)-N-[2-(N-ethylanilino)ethyl]-3-oxo-4H-quinoxaline-6-carboxamide

2-(2-acetamidophenyl)-N-[2-(N-ethylanilino)ethyl]-3-oxo-4H-quinoxaline-6-carboxamide (PubChem CID 11957252) has the molecular formula C27H27N5O3 and a molecular weight of 469.55 g/mol. Its IUPAC name is 2-(2-acetamidophenyl)-N-[2-(N-ethylanilino)ethyl]-3-oxo-4H-quinoxaline-6-carboxamide.

Molecular Properties

Compound Name2-(2-acetamidophenyl)-N-[2-(N-ethylanilino)ethyl]-3-oxo-4H-quinoxaline-6-carboxamide
PubChem CID11957252
Molecular FormulaC27H27N5O3
Molecular Weight469.55 g/mol
Exact Mass469.21
IUPAC Name2-(2-acetamidophenyl)-N-[2-(N-ethylanilino)ethyl]-3-oxo-4H-quinoxaline-6-carboxamide
SMILESCCN(CCNC(=O)c1ccc2nc(-c3ccccc3NC(C)=O)c(=O)[nH]c2c1)c1ccccc1
InChIInChI=1S/C27H27N5O3/c1-3-32(20-9-5-4-6-10-20)16-15-28-26(34)19-13-14-23-24(17-19)31-27(35)25(30-23)21-11-7-8-12-22(21)29-18(2)33/h4-14,17H,3,15-16H2,1-2H3,(H,28,34)(H,29,33)(H,31,35)
InChIKeyMXVXYCJSUFLRTF-UHFFFAOYSA-N
XLogP3.80
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.55
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-acetamidophenyl)-N-[2-(N-ethylanilino)ethyl]-3-oxo-4H-quinoxaline-6-carboxamide?
The IUPAC name of 2-(2-acetamidophenyl)-N-[2-(N-ethylanilino)ethyl]-3-oxo-4H-quinoxaline-6-carboxamide (CID 11957252) is 2-(2-acetamidophenyl)-N-[2-(N-ethylanilino)ethyl]-3-oxo-4H-quinoxaline-6-carboxamide.
What is the SMILES notation for 2-(2-acetamidophenyl)-N-[2-(N-ethylanilino)ethyl]-3-oxo-4H-quinoxaline-6-carboxamide?
The canonical SMILES for 2-(2-acetamidophenyl)-N-[2-(N-ethylanilino)ethyl]-3-oxo-4H-quinoxaline-6-carboxamide is CCN(CCNC(=O)c1ccc2nc(-c3ccccc3NC(C)=O)c(=O)[nH]c2c1)c1ccccc1.
What is the InChIKey of 2-(2-acetamidophenyl)-N-[2-(N-ethylanilino)ethyl]-3-oxo-4H-quinoxaline-6-carboxamide?
The InChIKey is MXVXYCJSUFLRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O3/c1-3-32(20-9-5-4-6-10-20)16-15-28-26(34)19-13-14-23-24(17-19)31-27(35)25(30-23)21-11-7-8-12-22(21)29-18(2)33/h4-14,17H,3,15-16H2,1-2H3,(H,28,34)(H,29,33)(H,31,35).
What are the key properties of 2-(2-acetamidophenyl)-N-[2-(N-ethylanilino)ethyl]-3-oxo-4H-quinoxaline-6-carboxamide?
2-(2-acetamidophenyl)-N-[2-(N-ethylanilino)ethyl]-3-oxo-4H-quinoxaline-6-carboxamide has a molecular weight of 469.55 g/mol, XLogP of 3.80, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetamidophenyl)-N-[2-(N-ethylanilino)ethyl]-3-oxo-4H-quinoxaline-6-carboxamide is sourced from PubChem (CID 11957252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).